4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid

C10H19N3O4 — CID 61197489

IUPAC4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
SMILESCN(C)C(=O)CN(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-12(2)8(14)7-13(3)10(17)11-6-4-5-9(15)16/h4-7H2,1-3H3,(H,11,17)(H,15,16)
InChIKeySCPCCHQHNBNPCZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.42
Rot. Bonds6

About 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid

4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid (PubChem CID 61197489) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
PubChem CID61197489
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
SMILESCN(C)C(=O)CN(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-12(2)8(14)7-13(3)10(17)11-6-4-5-9(15)16/h4-7H2,1-3H3,(H,11,17)(H,15,16)
InChIKeySCPCCHQHNBNPCZ-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
CID 79379882
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid (CID 61197489) is 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid is CN(C)C(=O)CN(C)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
The InChIKey is SCPCCHQHNBNPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-12(2)8(14)7-13(3)10(17)11-6-4-5-9(15)16/h4-7H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 61197489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).